1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide

C13H14FNO3 — CID 123914370

IUPAC1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C(C)=O)CC2)cc1F
InChIInChI=1S/C13H14FNO3/c1-8(16)13(5-6-13)12(17)15-9-3-4-11(18-2)10(14)7-9/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyUWVPKGLTMIJDTF-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.14
Rot. Bonds4

About 1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide

1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 123914370) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID123914370
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C(C)=O)CC2)cc1F
InChIInChI=1S/C13H14FNO3/c1-8(16)13(5-6-13)12(17)15-9-3-4-11(18-2)10(14)7-9/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyUWVPKGLTMIJDTF-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788
N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982906
1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550833
methyl 1-[(3,4-difluorophenyl)carbamoyl]cyclobutane-1-carboxylate
CID 115184233
2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 114327553
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983475
1-[(4-bromo-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 82860618
1-N'-[3-fluoro-4-[6-methoxy-7-(methylamino)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 130443881
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-N-(4-fluoro-3-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
CID 90435587

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide (CID 123914370) is 1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(C(C)=O)CC2)cc1F.
What is the InChIKey of 1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is UWVPKGLTMIJDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-8(16)13(5-6-13)12(17)15-9-3-4-11(18-2)10(14)7-9/h3-4,7H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide?
1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 123914370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).